%chk=000048796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048796

0 1
 O   0.9377000      0.3866000      -2.314300    
 O    3.024100      -1.536900       1.426900    
 O    3.442500       2.948200      0.5528000    
 N    2.107800       1.682200     -0.8258000    
 N    3.150400      0.7211000       1.042600    
 C    1.449700     -0.5831000     -0.1515000    
 C   0.1677000     -0.3699000      0.6732000    
 C   -1.103600     -0.3934000     -0.1954000    
 C    1.394100      -1.960200     -0.8287000    
 C   -2.387100     -0.1179000      0.5938000    
 C   6.8300001E-02  -1.442500       1.760900    
 C    1.481900      0.5080000      -1.217100    
 C    2.621000     -0.5421000      0.8249000    
 C   -3.607600     -8.1900001E-02 -0.3292000    
 C    2.682900      -2.254400      -1.563000    
 C   -4.886000      0.2306000      0.4505000    
 C    2.922500       1.863800      0.2852000    
 C   -6.099500      0.2992000     -0.4761000    
 C   -7.366900      0.6425000      0.2902000    
 H   0.2150000      0.6066000       1.175500    
 H   -1.223300      -1.360600     -0.6950000    
 H   -1.048800      0.3708000     -0.9761000    
 H   0.5818000      -2.028800      -1.560000    
 H    1.250100      -2.777500     -0.1157000    
 H   -2.553800     -0.8963000       1.345400    
 H   -2.295200      0.8379000       1.123300    
 H   0.9418000      -1.510500       2.410200    
 H  -0.1658000      -2.436500       1.369500    
 H  -0.7437000      -1.192700       2.453800    
 H   -3.713400      -1.047100     -0.8392000    
 H   -3.458500      0.6792000      -1.104800    
 H    2.593100      -3.212100      -2.088600    
 H    3.545400      -2.343800     -0.8973000    
 H    2.913900      -1.497700      -2.318800    
 H   -4.770900       1.187300      0.9745000    
 H   -5.049000     -0.5387000       1.215000    
 H    2.026800       2.472600      -1.459400    
 H    3.838000      0.8032000       1.786400    
 H   -5.934100       1.056100      -1.251800    
 H   -6.234300     -0.6625000     -0.9847000    
 H   -8.222300      0.6850000     -0.3915000    
 H   -7.276300       1.615900      0.7826000    
 H   -7.579100     -0.1114000       1.054900    


%chk=000048796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048796

0 1
O 0.944788 0.616179 -2.233108
O 3.187423 -1.679367 1.297502
O 3.343662 2.949098 0.986871
N 2.055722 1.756707 -0.560823
N 3.133847 0.628369 1.207537
C 1.494320 -0.655633 -0.183855
C 0.154782 -0.522559 0.722258
C -1.137338 -0.673981 -0.130385
C 1.501995 -1.959407 -1.025195
C -2.369184 -0.004004 0.525230
C 0.150352 -1.515184 1.909971
C 1.488326 0.580588 -1.099132
C 2.677687 -0.644931 0.797794
C -3.668552 -0.242775 -0.277054
C 2.758221 -2.136100 -1.905824
C -4.907715 0.430918 0.354109
C 2.867190 1.859395 0.583227
C -6.210892 0.171772 -0.435961
C -7.446302 0.842335 0.202730
H 0.167237 0.507470 1.139422
H -1.349239 -1.751760 -0.279325
H -0.997829 -0.235889 -1.136692
H 0.607078 -1.953340 -1.669552
H 1.420301 -2.814742 -0.331934
H -2.511076 -0.382282 1.558139
H -2.188408 1.087809 0.613627
H 0.950766 -1.312795 2.641152
H 0.264274 -2.558627 1.567846
H -0.814459 -1.438393 2.441658
H -3.849789 -1.334863 -0.361590
H -3.534527 0.130895 -1.313471
H 2.687141 -3.078106 -2.478456
H 3.676704 -2.188786 -1.295354
H 2.856763 -1.313125 -2.636199
H -4.735704 1.525305 0.426633
H -5.034223 0.066752 1.395454
H 1.937155 2.620013 -1.101014
H 3.823342 0.654559 1.965949
H -6.085548 0.537665 -1.475513
H -6.379457 -0.922126 -0.510256
H -8.364210 0.638965 -0.378903
H -7.317609 1.939911 0.257921
H -7.609713 0.472370 1.232670


